sc_NewP86CFunctional(3)

sc_NewP86CFunctional3

Usage

Inherits sc::DenFunctional.

Public Member Functions

NewP86CFunctional (const Ref< KeyVal > &)
NewP86CFunctional (StateIn &)
void save_data_state (StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. int need_density_gradient ()
void point (const PointInputData &, PointOutputData &)

Protected Member Functions

void init_constants ()
double rho_deriv (double rho_a, double rho_b, double mdr)
double gab_deriv (double rho_a, double rho_b, double mdr)

Protected Attributes

double a_
double C1_
double C2_
double C3_
double C4_
double C5_
double C6_
double C7_

Additional Inherited Members

Member Function Documentation

int sc::NewP86CFunctional::need_density_gradient () [virtual]

Reimplemented from sc::DenFunctional.

void sc::NewP86CFunctional::point (const PointInputData &, PointOutputData &) [virtual]

Implements sc::DenFunctional.

void sc::NewP86CFunctional::save_data_state (StateOut &) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data.

Reimplemented from sc::DenFunctional.

Releases

3 releases since Debian 6.0 (Squeeze); the text changed 2 times.

  1. 6.0
  2. 11
  3. 12

Author

Generated automatically by Doxygen for MPQC from the source code.

From libsc-doc 2.3.1-22 in Debian 12 (Bookworm). Parsed by carta from the page's man source.